==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-08 3DW1 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITIRACHIUM ALBUM; . AUTHOR E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 X A 0 0 31 0, 0.0 24,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.4 -9.4 12.7 -17.6 2 2 X A E -A 24 0A 65 22,-0.2 2,-0.6 277,-0.0 22,-0.2 -0.997 360.0-165.7-134.7 125.6 -7.6 10.4 -15.2 3 3 X Q E > -A 23 0A 31 20,-2.7 20,-2.3 -2,-0.4 3,-0.6 -0.943 20.5-147.8-109.0 108.6 -6.1 11.4 -11.8 4 4 X T T 3 S+ 0 0 98 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.392 75.6 16.3 -77.4 156.0 -3.8 8.6 -10.5 5 5 X N T 3 S+ 0 0 137 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.884 88.4 169.5 48.3 45.2 -3.4 7.9 -6.8 6 6 X A < - 0 0 9 15,-2.6 -1,-0.1 -3,-0.6 76,-0.1 -0.407 47.2 -79.5 -76.3 158.8 -6.5 9.9 -6.1 7 7 X P >> - 0 0 22 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.322 48.9-111.9 -54.3 145.9 -8.1 9.9 -2.6 8 8 X W H 3> S+ 0 0 27 1,-0.2 4,-2.4 199,-0.2 12,-0.2 0.822 114.5 58.0 -54.8 -35.3 -10.1 6.7 -2.4 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 105.9 48.0 -65.4 -39.8 -13.5 8.6 -2.3 10 10 X L H <> S+ 0 0 0 -3,-0.8 4,-0.9 2,-0.2 14,-0.3 0.944 112.7 48.6 -65.0 -47.0 -12.8 10.2 -5.7 11 11 X A H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.902 110.5 53.0 -58.5 -38.5 -11.8 6.9 -7.2 12 12 X R H >< S+ 0 0 5 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.892 101.3 58.9 -65.2 -40.3 -14.9 5.4 -5.7 13 13 X I H 3< S+ 0 0 0 -4,-1.9 262,-3.1 1,-0.3 263,-0.3 0.696 111.7 40.9 -64.3 -21.2 -17.2 8.0 -7.3 14 14 X S T << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.137 105.7 85.2-111.5 21.8 -16.1 7.1 -10.8 15 15 X S < - 0 0 15 -3,-1.7 242,-0.1 -5,-0.1 261,-0.1 -0.938 61.1-152.2-128.5 146.1 -16.0 3.3 -10.3 16 16 X T S S+ 0 0 94 -2,-0.4 -1,-0.1 2,-0.1 -4,-0.1 0.454 91.3 43.7 -82.6 -4.8 -18.4 0.4 -10.5 17 17 X S S S- 0 0 51 -5,-0.1 3,-0.4 240,-0.0 -3,-0.1 -0.990 81.0-119.5-140.0 150.0 -16.2 -1.4 -7.9 18 18 X P S S+ 0 0 56 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.328 84.8 55.9 -73.4 167.2 -14.4 -0.6 -4.6 19 19 X G S S+ 0 0 74 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.659 74.6 116.1 87.9 18.6 -10.6 -1.0 -4.4 20 20 X T - 0 0 60 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.756 46.5-157.8-115.5 168.3 -9.3 1.3 -7.2 21 21 X S + 0 0 60 -2,-0.3 -15,-2.6 -10,-0.1 2,-0.5 0.302 58.9 90.5-132.9 7.8 -7.2 4.4 -7.0 22 22 X T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.935 60.3-144.8-112.6 132.2 -7.7 6.5 -10.1 23 23 X Y E -A 3 0A 0 -20,-2.3 -20,-2.7 -2,-0.5 2,-0.4 -0.847 15.1-164.2 -95.1 123.7 -10.4 9.1 -10.5 24 24 X Y E +A 2 0A 95 -2,-0.5 2,-0.3 -14,-0.3 253,-0.2 -0.932 21.0 150.2-110.2 131.6 -11.9 9.4 -14.0 25 25 X Y - 0 0 29 -24,-1.8 2,-0.2 -2,-0.4 -11,-0.0 -0.996 50.3 -89.9-158.0 153.0 -13.9 12.4 -15.0 26 26 X D > - 0 0 50 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.481 40.4-123.5 -66.5 135.7 -14.9 14.6 -17.9 27 27 X E T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.675 103.6 79.2 -58.0 -22.2 -12.4 17.4 -18.4 28 28 X S T > S- 0 0 40 1,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.861 75.0-174.8 -56.3 -36.6 -15.2 20.1 -18.1 29 29 X A T < - 0 0 0 -3,-2.0 58,-2.9 1,-0.3 59,-0.4 0.741 65.5 -52.3 54.3 36.0 -14.8 19.4 -14.3 30 30 X G T > S+ 0 0 0 206,-0.4 3,-2.1 1,-0.2 59,-0.3 0.598 84.2 167.4 77.2 10.0 -17.7 21.6 -13.2 31 31 X Q T < + 0 0 128 -3,-2.4 -1,-0.2 1,-0.3 57,-0.2 -0.347 67.5 23.7 -57.5 133.9 -16.6 24.7 -15.0 32 32 X G T 3 S+ 0 0 24 55,-0.5 93,-2.7 1,-0.4 94,-0.6 0.386 104.8 100.9 88.8 -4.5 -19.3 27.3 -15.1 33 33 X S E < -b 126 0B 1 -3,-2.1 56,-1.7 92,-0.2 -1,-0.4 -0.608 58.2-148.2-100.8 169.1 -21.0 25.9 -12.0 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.3 -2,-0.2 2,-0.4 -0.997 5.4-161.1-138.6 145.4 -20.8 27.2 -8.4 35 35 X V E -bc 128 90B 0 54,-2.8 56,-2.5 -2,-0.3 2,-0.5 -0.988 8.5-151.0-128.7 123.5 -21.0 25.5 -5.0 36 36 X Y E -bc 129 91B 0 92,-3.0 94,-3.1 -2,-0.4 2,-0.7 -0.799 7.6-156.3 -87.8 130.1 -21.7 27.3 -1.8 37 37 X V E -bc 130 92B 0 54,-2.7 56,-2.3 -2,-0.5 2,-0.8 -0.937 5.7-163.8-109.7 109.6 -20.1 25.7 1.2 38 38 X I E + c 0 93B 0 92,-2.2 94,-0.5 -2,-0.7 56,-0.2 -0.839 51.4 83.0-101.6 103.5 -22.1 26.7 4.3 39 39 X D E S- c 0 94B 0 54,-2.1 57,-2.3 -2,-0.8 56,-1.5 -0.549 97.6 -31.1-168.0-143.4 -19.8 25.9 7.2 40 40 X T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.339 97.9 -94.0 -87.5 6.1 -16.9 27.3 9.2 41 41 X G - 0 0 0 52,-0.4 -1,-0.4 -4,-0.2 2,-0.4 -0.584 38.3 -91.9 109.3-177.3 -15.6 29.2 6.2 42 42 X I - 0 0 4 21,-0.5 2,-1.7 -2,-0.2 3,-0.1 -0.989 19.1-129.4-139.7 131.4 -13.0 28.4 3.5 43 43 X E > - 0 0 42 -2,-0.4 3,-2.0 1,-0.2 6,-0.2 -0.619 30.9-175.7 -76.3 87.5 -9.3 29.2 3.5 44 44 X A T 3 S+ 0 0 33 -2,-1.7 7,-0.5 1,-0.3 9,-0.4 0.750 73.4 64.9 -62.4 -26.0 -9.4 30.8 -0.0 45 45 X S T 3 S+ 0 0 104 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.509 70.6 122.8 -76.2 -5.8 -5.7 31.3 -0.2 46 46 X H X> - 0 0 10 -3,-2.0 3,-2.4 1,-0.2 4,-0.5 -0.403 67.9-133.7 -59.2 125.8 -5.0 27.6 -0.1 47 47 X P G >4 S+ 0 0 95 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.803 102.0 70.1 -51.0 -29.8 -3.0 26.7 -3.3 48 48 X E G 34 S+ 0 0 12 1,-0.2 32,-2.6 2,-0.1 33,-0.1 0.702 93.9 55.1 -62.2 -20.8 -5.3 23.8 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.4 3,-2.6 30,-0.2 -1,-0.2 0.619 90.2-150.3 -91.0 -14.3 -8.2 26.2 -4.7 50 50 X E T << - 0 0 103 -3,-1.2 -2,-0.1 -4,-0.5 -5,-0.1 0.785 67.5 -56.3 55.5 33.4 -6.3 28.0 -7.5 51 51 X G T 3 S+ 0 0 68 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.478 116.6 110.2 79.1 1.3 -8.1 31.3 -6.9 52 52 X R < + 0 0 24 -3,-2.6 38,-2.8 26,-0.1 2,-0.3 0.474 61.7 77.6 -88.1 -4.7 -11.5 29.6 -7.5 53 53 X A E +d 90 0B 5 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.836 53.0 165.6-107.4 146.8 -12.6 30.0 -3.8 54 54 X Q E -d 91 0B 103 36,-1.8 38,-2.8 -2,-0.3 2,-0.4 -0.980 35.6-121.0-153.6 144.4 -13.8 33.1 -2.1 55 55 X M E +d 92 0B 41 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.740 30.2 171.9 -80.7 133.5 -15.6 34.0 1.2 56 56 X V E + 0 0 28 36,-2.8 2,-0.3 -2,-0.4 37,-0.2 0.586 59.8 14.3-117.2 -17.0 -18.9 35.8 0.4 57 57 X K E +d 93 0B 77 35,-1.5 37,-2.9 6,-0.1 -1,-0.3 -0.971 51.0 176.6-160.6 142.1 -20.5 36.0 3.9 58 58 X T E -d 94 0B 37 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.982 19.8-161.0-141.1 154.6 -19.8 35.6 7.6 59 59 X Y S S+ 0 0 70 35,-1.4 2,-0.2 -2,-0.3 36,-0.1 0.208 76.7 69.3-112.0 11.0 -22.0 36.1 10.7 60 60 X Y S S- 0 0 33 2,-0.3 -2,-0.1 34,-0.2 34,-0.1 -0.598 102.9 -85.5-124.9-178.7 -18.9 36.4 13.0 61 61 X Y S S+ 0 0 234 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.694 111.3 25.5 -70.4 -16.1 -16.1 38.8 13.6 62 62 X S - 0 0 56 2,-0.1 -2,-0.3 1,-0.1 -3,-0.2 -0.966 59.9-144.0-140.7 157.4 -14.1 37.3 10.8 63 63 X S + 0 0 51 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.433 68.1 117.7 -94.6 -2.6 -14.7 35.3 7.6 64 64 X R S S- 0 0 65 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.374 71.9-123.4 -66.0 139.4 -11.5 33.3 8.2 65 65 X D + 0 0 10 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.767 36.0 170.7 -80.1 102.0 -11.9 29.5 8.8 66 66 X G S S+ 0 0 39 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.271 73.6 48.1 -94.9 10.7 -10.3 29.1 12.2 67 67 X N S S- 0 0 44 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.778 89.3-137.6-112.6 -56.3 -11.5 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.5 -28,-0.1 5,-0.2 -0.018 75.7 100.6 118.1 -27.9 -10.6 23.7 9.2 69 69 X H H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 84.2 47.7 -64.0 -39.7 -13.8 21.8 8.6 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 112.4 50.8 -62.5 -39.7 -15.3 24.2 6.0 71 71 X T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.887 109.8 50.2 -65.2 -39.1 -11.9 24.2 4.2 72 72 X H H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 139,-0.4 0.947 112.2 46.7 -63.5 -48.8 -11.9 20.4 4.2 73 73 X C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.926 111.5 51.1 -59.4 -46.5 -15.4 20.2 2.8 74 74 X A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.872 106.8 55.8 -59.3 -37.3 -14.6 22.8 0.2 75 75 X G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.870 105.8 49.9 -63.2 -38.5 -11.6 20.8 -0.8 76 76 X T H < S+ 0 0 0 -4,-1.7 8,-2.3 -3,-0.2 -1,-0.2 0.864 112.7 48.6 -71.1 -32.8 -13.7 17.7 -1.4 77 77 X V H < S- 0 0 0 -4,-1.9 8,-3.0 6,-0.2 -2,-0.2 0.963 138.0 -14.4 -65.1 -51.5 -16.1 19.7 -3.6 78 78 X G H < S+ 0 0 0 -4,-2.5 -3,-0.2 5,-0.2 -2,-0.2 0.293 80.8 132.4-151.2 15.6 -13.5 21.4 -5.8 79 79 X S X - 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -30,-0.2 -0.423 62.5-115.3 -70.2 155.5 -9.8 21.5 -4.9 80 80 X R T 4 S+ 0 0 111 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.890 109.8 21.7 -57.2 -43.6 -7.4 20.5 -7.7 81 81 X T T 4 S+ 0 0 35 -33,-0.1 -1,-0.2 1,-0.1 5,-0.0 0.855 134.9 31.9 -94.2 -39.7 -6.2 17.4 -5.9 82 82 X Y T 4 S+ 0 0 37 -76,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.434 98.3 101.5-104.5 0.5 -8.9 16.4 -3.5 83 83 X G < - 0 0 0 -4,-1.6 3,-0.3 1,-0.1 -6,-0.2 -0.589 57.8-150.8 -99.9 151.2 -12.0 17.6 -5.3 84 84 X V S S+ 0 0 0 -8,-2.3 2,-0.7 1,-0.2 -6,-0.2 0.901 99.9 37.8 -73.1 -46.0 -14.8 16.1 -7.4 85 85 X A S > S- 0 0 0 -8,-3.0 3,-1.5 -9,-0.2 -1,-0.2 -0.816 72.9-176.8-114.8 87.2 -15.4 19.2 -9.5 86 86 X K T 3 S+ 0 0 10 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.495 77.8 41.5 -75.3 -3.7 -12.0 20.6 -10.1 87 87 X K T 3 S+ 0 0 78 -58,-2.9 -55,-0.5 2,-0.1 -1,-0.3 0.271 85.6 117.9-123.6 8.3 -13.0 23.7 -12.0 88 88 X T < - 0 0 0 -3,-1.5 2,-0.4 -59,-0.4 -54,-0.2 -0.294 67.1-113.8 -70.1 159.3 -16.1 24.8 -10.1 89 89 X Q E -c 34 0B 71 -56,-1.7 -54,-2.8 -59,-0.3 2,-0.5 -0.827 29.6-149.2 -91.4 137.2 -16.3 28.2 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.8 -36,-1.8 -2,-0.4 2,-0.5 -0.931 11.4-169.8-114.9 128.7 -16.5 27.9 -4.5 91 91 X F E -cd 36 54B 10 -56,-2.5 -54,-2.7 -2,-0.5 2,-0.4 -0.968 12.7-147.2-120.7 120.3 -18.3 30.4 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.8 -36,-2.8 -2,-0.5 -35,-1.5 -0.722 13.5-175.5 -92.8 133.3 -17.9 30.3 1.5 93 93 X V E -cd 38 57B 0 -56,-2.3 -54,-2.1 -2,-0.4 2,-1.2 -0.969 17.0-149.2-125.3 110.0 -20.7 31.2 3.9 94 94 X K E +cd 39 58B 4 -37,-2.9 -35,-1.4 -2,-0.5 -54,-0.2 -0.684 40.1 145.1 -89.6 94.0 -19.5 31.1 7.5 95 95 X V + 0 0 0 -56,-1.5 2,-0.4 -2,-1.2 -1,-0.2 0.520 60.7 68.2 -98.0 -12.6 -22.5 30.1 9.6 96 96 X L S S- 0 0 8 -57,-2.3 6,-0.2 -3,-0.2 -57,-0.1 -0.900 80.3-128.9-110.7 140.0 -20.4 28.1 12.1 97 97 X D > - 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